5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine

C50H46F2N6O7S2 — CID 158718452

About 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine

5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine (PubChem CID 158718452) has the molecular formula C50H46F2N6O7S2 and a molecular weight of 945.08 g/mol. Its IUPAC name is 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine
• PubChem CID: 158718452
• Molecular Formula: C50H46F2N6O7S2
• Molecular Weight: 945.08 g/mol
• Exact Mass: 944.28
• IUPAC Name: 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine
• SMILES: CC(=O)c1ccc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1.CC(=O)c1ccc(-c2cncc(C(=O)O)c2)s1.CC(C)(CN)c1coc(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C25H22FN3O3S.C13H15FN2O.C12H9NO3S/c1-15(30)20-8-9-21(33-20)17-10-18(12-27-11-17)23(31)28-14-25(2,3)22-13-32-24(29-22)16-4-6-19(26)7-5-16;1-13(2,8-15)11-7-17-12(16-11)9-3-5-10(14)6-4-9;1-7(14)10-2-3-11(17-10)8-4-9(12(15)16)6-13-5-8/h4-13H,14H2,1-3H3,(H,28,31);3-7H,8,15H2,1-2H3;2-6H,1H3,(H,15,16)
• InChIKey: IJPPDZWACUHZER-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 204.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.08
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The IUPAC name of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine (CID 158718452) is 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The canonical SMILES for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine is CC(=O)c1ccc(-c2cncc(C(=O)NCC(C)(C)c3coc(-c4ccc(F)cc4)n3)c2)s1.CC(=O)c1ccc(-c2cncc(C(=O)O)c2)s1.CC(C)(CN)c1coc(-c2ccc(F)cc2)n1.

What is the InChIKey of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

The InChIKey is IJPPDZWACUHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3S.C13H15FN2O.C12H9NO3S/c1-15(30)20-8-9-21(33-20)17-10-18(12-27-11-17)23(31)28-14-25(2,3)22-13-32-24(29-22)16-4-6-19(26)7-5-16;1-13(2,8-15)11-7-17-12(16-11)9-3-5-10(14)6-4-9;1-7(14)10-2-3-11(17-10)8-4-9(12(15)16)6-13-5-8/h4-13H,14H2,1-3H3,(H,28,31);3-7H,8,15H2,1-2H3;2-6H,1H3,(H,15,16).

What are the key properties of 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine?

5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 945.08 g/mol, XLogP of 10.94, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-acetylthiophen-2-yl)-N-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropyl]pyridine-3-carboxamide;5-(5-acetylthiophen-2-yl)pyridine-3-carboxylic acid;2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 158718452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).